Binding information for 4y8y_ligand_1_7.mol2(FDBF01215)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4y8y_ligand_1_7.mol2 | 4y8y | 0.851852 | -5.41 | CC(=O)N1CCOCC1 | 9 |
Structure and binding mode of 4y8y_ligand_1_7.mol2(FDBF01215)
Important binding residues for 4y8y_ligand_1_7.mol2(FDBF01215)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4y8y | HIS57 | -2.43 | -1.25 | -3.68 | 1.99 | -1.69 |
| 4y8y | TYR58B | -0.82 | 0.08 | -0.74 | 0.12 | -0.63 |
